1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine

C7H8BrFN2 — CID 171436816

IUPAC1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(Br)ccc1F
InChIInChI=1S/C7H8BrFN2/c1-10-4-6-5(9)2-3-7(8)11-6/h2-3,10H,4H2,1H3
InChIKeyCAKAOQFUTYPEEH-UHFFFAOYSA-N
MW219.06 g/mol
LogP1.70
Rot. Bonds2

About 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine

1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine (PubChem CID 171436816) has the molecular formula C7H8BrFN2 and a molecular weight of 219.06 g/mol. Its IUPAC name is 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine
PubChem CID171436816
Molecular FormulaC7H8BrFN2
Molecular Weight219.06 g/mol
Exact Mass217.99
IUPAC Name1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine
SMILESCNCc1nc(Br)ccc1F
InChIInChI=1S/C7H8BrFN2/c1-10-4-6-5(9)2-3-7(8)11-6/h2-3,10H,4H2,1H3
InChIKeyCAKAOQFUTYPEEH-UHFFFAOYSA-N
XLogP1.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.06
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-3-fluoro-2-pyridinyl)methanamine
CID 112694257
6-bromo-3-fluoro-N-methylpyridin-2-amine
CID 122605027
2-(6-bromo-3-fluoro-2-pyridinyl)acetaldehyde
CID 87587853
(2R)-3-[(6-bromo-3-fluoro-2-pyridinyl)methylamino]-1,1,1-trifluoropropan-2-ol
CID 162351361
6-bromo-3-fluoro-2-methylpyridine
CID 118703748
1-(3-bromo-6-methyl-2-pyridinyl)-N-methylmethanamine
CID 83886539
1-(3-bromo-6-chloro-2-pyridinyl)-N-methylmethanamine
CID 130116038
6-bromo-3-fluoropyridine-2-carbonitrile
CID 86333894
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 107952862
1-[5-(2,5-difluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 63272979
1-[4-bromo-1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-methylmethanamine
CID 116818643
1-[5-(2-bromo-4-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 62297784

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine (CID 171436816) is 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine is CNCc1nc(Br)ccc1F.
What is the InChIKey of 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine?
The InChIKey is CAKAOQFUTYPEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrFN2/c1-10-4-6-5(9)2-3-7(8)11-6/h2-3,10H,4H2,1H3.
What are the key properties of 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine?
1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine has a molecular weight of 219.06 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-3-fluoro-2-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 171436816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).